From: "Davin A. Peterson" Subject: EDUC: Molecular Modelling Date: Thu, 14 Nov 1996 10:05:10 -0500 Message-ID: I am working on an outreach project for a research institution that designs materials, and uses AFM, and Electron microscopes. I have written a piece of code that converts the output from a program called CERIUS2, (an industry standard molecular simulation tool creates .msi files) to VRML2.0 models that will contain atomic information, and hopefully details on bond strengths etc. Currently my models are simple spheres of different sizes for the different atoms, but I want to expand the functionality of this tool to include more bond information in the display. Ideally I want to create a 'dashboard' type interface that alllows the user to spin molecules, join them and maybe even load new ones, break them and move them into new positions according to their real physical properties such as charge and reactivity, through VRML over the Web. Does anyone know of any similar projects? Also I am looking for good examples of the IndexedLineSet node to represent bonds with variable thickness? and some good dashboard prototypes or a place to start learning more about vrml/javascript. This project is part of a larger effort called Pathways to Science and Technology, which is an effort to provide access and resources through computers and telcommunications technology, to the inner city residents and youth of Trenton NJ through a new Science Center, that will include VR applications such as these, as exibits accessable both over the Web, and through the Center. These efforts are being co-ordinated with interest from the Dept of Education and Princeton University. We are also atttempting to compile a database of suitable VR and internet related educational resources in the process of developing this project. If anyone has any ideas or suggestions about any of this, thank you. Please contact: Davin Peterson Technical Designer Pathways to Science and Technology davinp@princeton.edu http://pmi.princeton.edu/pathways